N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C20H29N5OS — CID 30852320

IUPACN-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C4CCN(C)CC4)C3)n[nH]2)s1
InChIInChI=1S/C20H29N5OS/c1-14-5-6-19(27-14)17-12-18(23-22-17)20(26)21-15-4-3-9-25(13-15)16-7-10-24(2)11-8-16/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,26)(H,22,23)/t15-/m0/s1
InChIKeyNKPILMTXRZKDRK-HNNXBMFYSA-N
MW387.55 g/mol
LogP2.74
Rot. Bonds4

About N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 30852320) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID30852320
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC NameN-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C4CCN(C)CC4)C3)n[nH]2)s1
InChIInChI=1S/C20H29N5OS/c1-14-5-6-19(27-14)17-12-18(23-22-17)20(26)21-15-4-3-9-25(13-15)16-7-10-24(2)11-8-16/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,26)(H,22,23)/t15-/m0/s1
InChIKeyNKPILMTXRZKDRK-HNNXBMFYSA-N
XLogP2.74
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 129226288
N-[5-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]thiophen-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
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CID 49790776
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1-(2-fluorophenyl)-4-[(3-thien-2-yl-1H-pyrazol-5-yl)carbonyl]piperazine
CID 20906445
5-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 45818567
N-cyclopropyl-N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 30852320) is N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H]3CCCN(C4CCN(C)CC4)C3)n[nH]2)s1.
What is the InChIKey of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is NKPILMTXRZKDRK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-14-5-6-19(27-14)17-12-18(23-22-17)20(26)21-15-4-3-9-25(13-15)16-7-10-24(2)11-8-16/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H,21,26)(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 30852320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).